3-[2-(2H-1,3-benzodioxol-5-yl)-1-cyanoethenyl]benzonitrile
Chemical Structure Depiction of
3-[2-(2H-1,3-benzodioxol-5-yl)-1-cyanoethenyl]benzonitrile
3-[2-(2H-1,3-benzodioxol-5-yl)-1-cyanoethenyl]benzonitrile
Compound characteristics
| Compound ID: | 8018-5252 |
| Compound Name: | 3-[2-(2H-1,3-benzodioxol-5-yl)-1-cyanoethenyl]benzonitrile |
| Molecular Weight: | 274.28 |
| Molecular Formula: | C17 H10 N2 O2 |
| Smiles: | C1Oc2ccc(\C=C(C#N)/c3cccc(C#N)c3)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 3.4533 |
| logD: | 3.4533 |
| logSw: | -3.6101 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 51.195 |
| InChI Key: | UQDLPUSAJVFIGQ-UHFFFAOYSA-N |